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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | catechol | |
| Synonyms |
1,2-Benzenediol 2-hydroxyphenol pyrocatechin alpha-hydroxyphenol o-hydroxyphenol Brenzcatechin Pyrocatechol 1,2-Dihydroxybenzene o-Benzenediol catechol Catechol benzene-1,2-diol |
|
| Definitions |
A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_18135 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:C00090 Gmelin:2936 PMID:10651166 PMID:15951152 KEGG:C01785 KNApSAcK:C00002644 KEGG:C15571 PDBeChem:CAQ DrugBank:DB02232 CAS:120-80-9 HMDB:HMDB0000957 CAS:12385-08-9 PMID:11470755 Reaxys:471401 Wikipedia:Catechol MetaCyc:CATECHOL PMID:16610220 UM-BBD_compID:c0097
|
|
| definition |
A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other.
|
|
| formula |
C6H6O2
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_76924 |
|
| has_alternative_id |
CHEBI:41441 CHEBI:3467 CHEBI:135158 CHEBI:13950 CHEBI:23054
|
|
| has_exact_synonym |
catechol Catechol benzene-1,2-diol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1,2-Benzenediol 2-hydroxyphenol pyrocatechin alpha-hydroxyphenol o-hydroxyphenol Brenzcatechin Pyrocatechol 1,2-Dihydroxybenzene o-Benzenediol
|
|
| id |
CHEBI:18135
|
|
| in_subset | ||
| inchi |
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
|
|
| inchikey |
YCIMNLLNPGFGHC-UHFFFAOYSA-N
|
|
| is conjugate acid of | ||
| label |
catechol
|
|
| mass |
110.11064
|
|
| monoisotopicmass |
110.03678
|
|
| notation |
CHEBI:18135
|
|
| prefLabel |
catechol
|
|
| smiles |
Oc1ccccc1O
|
|
| treeView | ||
| subClassOf |
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